ZINC15

SEA

The Similarity ensemble approach relates proteins based on the set-wise chemical similarity among their ligands. It can be used to rapidly search large compound databases and to build cross-target similarity maps.

DOCK Blaster

DOCK Blaster is a public access service for structure-based ligand discovery.
It aims to help you answer the question: What small molecules should I purchase and test for activity against my biological target for which I have a structure?